General Information of the Compound
| Compound ID |
CP0941531
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| Compound Name |
rac-(5-(2-(aminomethyl)phenyl)thiophen-2-yl)(3-(5-aminopyridin-3-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C26H23N5O2S
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| Molecular Weight |
469.57
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| Canonical SMILES |
NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)CC2c2ccccc2O)s1
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| InChI |
InChI=1S/C26H23N5O2S/c27-13-16-5-1-2-6-19(16)24-9-10-25(34-24)26(33)31-22(20-7-3-4-8-23(20)32)12-21(30-31)17-11-18(28)15-29-14-17/h1-11,14-15,22,32H,12-13,27-28H2
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| InChIKey |
DYCDLRQAFJFZHC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound